SCHEMBL11672615

SCHEMBL11672615

CC(=O)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(C)CS[C@@H]12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.79
▸ ALDH1A1 P00352 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ SLC15A2 Q16348 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ SLC22A8 Q8TCC7 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CACNA1B Q00975 2/20 0.43
▸ APBA1 Q02410 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11672611 1.00 PLCG1 (0.79) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11101773 0.91 PLCG1 (0.66) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11305923 0.91 PLCG1 (0.66) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11796154 0.90 PLCG1 (0.75) PLCG1ALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL11673833 0.90 PLCG1 (0.65) PLCG1ALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL11673831 0.90 PLCG1 (0.65) PLCG1ALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL11773847 0.89 PLCG1 (0.89) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11868041 0.89 PLCG1 (0.64) PLCG1ALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL10412275 0.89 PLCG1 (1.00) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11097617 0.89 PLCG1 (0.81) PLCG1ALDH1A1L3MBTL1MAPK1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4065621-A Process for 3-alkyl and 3-phenyl cephalosporins ELI LILLY AND COMPANY (US) 1977-12-27 — — US disclosed
US-4065618-A Process for 3-H-3-cephem esters ELI LILLY AND COMPANY (US) 1977-12-27 — — US disclosed
US-4013651-A 3-SUBSTITUTED AMINO-CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1977-03-22 — — US disclosed
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